(3S)-N-[2-[1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

Systemtic Name: (3S)-N-[2-[1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Openeye Name: (3S)-N-[2-[1-[(3-acetylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide CAS Name: (3S)-N-[2-[1-[(3-acetylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-oxolanecarboxamide IUPAC Name: (3S)-N-[2-[1-[(3-acetylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]oxolane-3-carboxamide Traditional Name: (3S)-N-[2-[1-(3-acetylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]tetrahydrofuran-3-carboxamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4CCOC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)[C@H]4CCOC4

InChI

InChI=1S/C22H28N4O3/c1-16(27)18-4-2-3-17(13-18)14-25-10-6-20(7-11-25)26-21(5-9-23-26)24-22(28)19-8-12-29-15-19/h2-5,9,13,19-20H,6-8,10-12,14-15H2,1H3,(H,24,28)/p+1/t19-/m0/s1